1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide

C24H31N3O2 — CID 46774277

IUPAC1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c28-24(22-10-12-26(13-11-22)19-21-4-2-1-3-5-21)25-18-20-6-8-23(9-7-20)27-14-16-29-17-15-27/h1-9,22H,10-19H2,(H,25,28)
InChIKeyACKTUYCCWZDGAR-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.05
Rot. Bonds6

About 1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide

1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 46774277) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID46774277
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c28-24(22-10-12-26(13-11-22)19-21-4-2-1-3-5-21)25-18-20-6-8-23(9-7-20)27-14-16-29-17-15-27/h1-9,22H,10-19H2,(H,25,28)
InChIKeyACKTUYCCWZDGAR-UHFFFAOYSA-N
XLogP3.05
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-benzylsulfonyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 28636356
N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide
CID 110405120
4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide
CID 60570095
1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917296
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
N-benzyl-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 26653391
methyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate
CID 27107110
1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 136579023
1-[(4-chlorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 100522699
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
1-benzyl-N-[(6-chloro-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 136579030
1-[(3-chlorophenyl)methylsulfonyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 53283856

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide (CID 46774277) is 1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is ACKTUYCCWZDGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c28-24(22-10-12-26(13-11-22)19-21-4-2-1-3-5-21)25-18-20-6-8-23(9-7-20)27-14-16-29-17-15-27/h1-9,22H,10-19H2,(H,25,28).
What are the key properties of 1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide?
1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46774277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).